SCHEMBL4476080

SCHEMBL4476080

CC[C@@H](NCc1ccc(-c2ccccc2)cc1)c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TACR3 P29371 2/20 0.44
ADRB2 P07550 1/20 0.42
GPR142 Q7Z601 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 1/20 0.39
HIF1A Q16665 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CXCR4 P61073 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
KCNA5 P22460 1/20 0.38
KCNH2 Q12809 1/20 0.38
SUCNR1 Q9BXA5 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4486813 0.82 ADRB2 (0.53) ALDH1A1LMNAMAPK1HTTNPSR1
SCHEMBL4476082 0.81 TACR3 (0.42) ALDH1A1LMNAHTTTACR3GPR142
SCHEMBL6268899 0.78 KCNA5 (0.46) ALDH1A1MAPK1TACR3CYP1A2CYP2D6
SCHEMBL15908506 0.75 KCNA5 (0.47) ALDH1A1MAPK1TACR3CYP1A2CYP2D6
SCHEMBL12364182 0.74 F11 (0.42) ALDH1A1LMNAMAPK1HTTNPSR1
SCHEMBL16132513 0.73 KCNA5 (0.45) ALDH1A1TACR3CYP1A2CYP2D6SLC6A2
SCHEMBL18713587 0.73 ALDH1A1 (0.53) ALDH1A1LMNAMAPK1HTTNPSR1
SCHEMBL2323123 0.73 KCNA5 (0.47) ALDH1A1LMNAMAPK1TACR3CYP1A2
SCHEMBL22342850 0.72 POLB (0.50) ADRB2CYP1A2CYP2D6SLC6A2SLC6A3
SCHEMBL23808091 0.71 KCNA5 (0.42) ALDH1A1LMNAMAPK1HTTNPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7615651-B2 Diaryl, dipyridinyl and aryl-pyridinyl derivatives and uses thereof PFIZER INC. (US) 2009-11-10 US disclosed
US-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof PFIZER INC. 2008-07-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof OPRD1, OPRK1, OPRL1 ALDH1A1 1390/4885LMNA 3030/4885MAPK1 2263/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.